2-Methylanilinium chloride monohydrate

Abstract

Key indicators: single-crystal X-ray study; T = 173 K; mean (C-C) = 0.004 Å; R factor = 0.040; wR factor = 0.141; data-to-parameter ratio = 15.1.The asymmetric unit of the title compound, C 7 H 10 N + ÁCl À ÁH 2 O, contains a 2-methylanilinium cation, a chloride anion and one molecule of water. The crystal structure consists of alternating layers of hydrophobic and hydrophilic zones of o-toluidine along the c axis. The water molecules and the chloride anions are sandwiched between these layers. A large number of cation-anion, cation-water and water-anion hydrogen bonds result in a two-dimensional network which reinforces the cohesion of the ionic structure. Experimental Crystal dataC 7 H 10 N + ÁCl À ÁH 2 O M r = 161.63 Monoclinic, P2 1 =c a = 8.1871 (5) Å b = 7.4046 (4) Å c = 14.7415 (5) Å = 94.600 (4) V = 890.78 (8) Å 3 Z = 4 Mo K radiation = 0.37 mm À1

3,4-Dimethylanilinium chloride monohydrate

“…For crystal structures containing the dimethylanilinium cation, see: Bouacida (2008); Singh et al (2002); Singh et al (1995a,b); Linden et al (1995); Fá bry et al (2001,2002). For the crystal structures of related protonated amines, see: Bouacida et al (2005aBouacida et al ( ,b,c, 2006Bouacida et al ( , 2007; Benslimane et al (2007); Rademeyer (2004a,b).…”

“…Enraf-Nonius KappaCCD diffractometer Absorption correction: none 10115 measured reflections 2181 independent reflections 1403 reflections with I > 2(I) Data collection: COLLECT (Nonius, 1998); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO (Otwinowski & Minor, 1997); and SCALEPACK program(s) used to solve structure: SIR2002 (Burla et al, 2003); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg et al, 2001); software used to prepare material for publication: WinGX (Farrugia, 1999). The title compound, was prepared as part of our ongoing studies of hydrogen-bonding interactions in the crystal structure of protonated amines (Bouacida et al, 2005a,b,c;Bouacida et al, 2006;Benslimane et al, 2007;Bouacida et al, 2007).…”

2-Ethyl-6-methylanilinium 4-methylbenzenesulfonate

“…For related structures, see: Benali-Cherif et al (2007); Benslimane et al (2007); Elmali et al (2001); Fá bry et al (2001,2002); Khemiri et al (2008); Muthamizhchelvan et al (2005); Smirani et al (2008); Smirani & Rzaigui (2009).…”

“…These hydrogen bonds are effective in the stabilization of the structure. The crystal structures of several related compounds have been published, e.g.Muthamizhchelvan et al (2008);Benslimane et al (2007);Smirani & Rzaigui (2009); Fábry et al (2001 Fábry et al ( , 2002;Khemiri et al (2008);Benali-Cherif et al (2007);Elmali et al (2001).…”

4-(Carboxymethyl)anilinium chloride

“…For our ongoing studies of hydrogen-bonding interactions in the crystal structures of protonated amines, see: Benslimane et al (2007); Bouacida et al (2005aBouacida et al ( ,b,c, 2006Bouacida et al ( , 2007Bouacida et al ( , 2008Bouacida et al ( , 2009. For amino acids in which the amino N atom is protonated, see: Bouacida et al (2006); Rademeyer (2004a,b).…”